2-(ethylsulfanyl)ethyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-(ethylsulfanyl)ethyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-(ethylsulfanyl)ethyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0704 |
| Compound Name: | 2-(ethylsulfanyl)ethyl 7-(4-ethoxy-3-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 525.66 |
| Molecular Formula: | C29 H35 N O6 S |
| Smiles: | CCOc1ccc(cc1OC)C1CC2=C(C(C(=C(C)N2)C(=O)OCCSCC)c2ccc(C)o2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1973 |
| logD: | 0.5645 |
| logSw: | -5.0738 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.631 |
| InChI Key: | ITTRQCDLHKBKIU-UHFFFAOYSA-N |